SCHEMBL14339337

SCHEMBL14339337

O=C(NO)c1ccc2ccn(CC3CCC(OC(F)F)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC3 O15379 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC5 Q9UQL6 2/20 0.48
NCOR2 Q9Y618 1/20 0.48
MAP3K5 Q99683 1/20 0.43
EPHX2 P34913 2/20 0.40
PPARG P37231 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1993864 0.82 HDAC6 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1993304 0.80 HDAC8 (0.51) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1994308 0.74 KDM4E (0.49) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL2611403 0.74 HDAC6 (0.44) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1993513 0.72 HDAC6 (0.74) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL5452646 0.69 ALDH1A1 (0.70) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL31200148 0.68 KDM4E (0.46) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28312615 0.68 KDM4E (0.50) MAP3K5KDM4EALDH1A1HPGDLMNA
SCHEMBL1608480 0.68 HDAC6 (0.72) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL4251097 0.68 ALDH1A1 (0.45) HDAC8HDAC6HDAC1HDAC2HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC8 1/4885HDAC6 10/4885HDAC1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.